1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C17H26N2O2 — CID 127823769

IUPAC1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(C(=O)C23CCC(CC2)C3)CC1
InChIInChI=1S/C17H26N2O2/c20-15-2-1-9-19(15)14-5-10-18(11-6-14)16(21)17-7-3-13(12-17)4-8-17/h13-14H,1-12H2
InChIKeyDNIHTSQFCNBNJV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds2

About 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 127823769) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID127823769
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(C(=O)C23CCC(CC2)C3)CC1
InChIInChI=1S/C17H26N2O2/c20-15-2-1-9-19(15)14-5-10-18(11-6-14)16(21)17-7-3-13(12-17)4-8-17/h13-14H,1-12H2
InChIKeyDNIHTSQFCNBNJV-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 127823769) is 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(C(=O)C23CCC(CC2)C3)CC1.
What is the InChIKey of 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is DNIHTSQFCNBNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-15-2-1-9-19(15)14-5-10-18(11-6-14)16(21)17-7-3-13(12-17)4-8-17/h13-14H,1-12H2.
What are the key properties of 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 127823769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).